HIT ID: HIT212725810
Cas No: 87679-71-8;951393-55-8
分子式: C22H32N2O6
分子量: 420.506
常用名: Trandolaprilate hydrate
氢键受体数 (HBA): 6
氢键供体数 (HBD): 3
LogP: 0.18969378
IUPAC: (2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid hydrate
IUPAC: (2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid hydrate
SMILES: O.C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(O)=O
SMILES: O.C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(O)=O
InChI key: RCVUTQVXMHPLKS-CNTNIUBLSA-N
